UCSF

ZINC39816766

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.04 -2.64 -114.75 8 8 1 154 261.302 9
Hi High (pH 8-9.5) -4.04 -3.11 -79.72 7 8 0 152 260.294 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )